2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-2-oxidanylidene-4-sulfanyl-azetidin-1-ium-1-yl]ethanoate; propane

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-2-oxidanylidene-4-sulfanyl-azetidin-1-ium-1-yl]ethanoate; propane Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)-1-methyl-2-oxo-4-sulfanyl-azetidin-1-ium-1-yl]acetate; propane CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-mercapto-1-methyl-4-oxo-1-azetidin-1-iumyl]acetate; propane IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)-1-methyl-2-oxo-4-sulfanylazetidin-1-ium-1-yl]acetate; propane Traditional Name: 2-(2-keto-4-mercapto-1-methyl-3-phthalimido-azetidin-1-ium-1-yl)acetate; n-propane Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC.C[N+]1(C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S)CC(=O)[O-]

Isomeric SMILES

CCC.C[N+]1(C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S)CC(=O)[O-]

InChI

InChI=1S/C14H12N2O5S.C3H8/c1-16(6-9(17)18)13(21)10(14(16)22)15-11(19)7-4-2-3-5-8(7)12(15)20;1-3-2/h2-5,10,14H,6H2,1H3,(H-,17,18,22);3H2,1-2H3